Researchers cast neural nets to simulate molecular motion

https://www.lanl.gov/discover/news-release-archive/2019/July/0702-molecular-motion.php

“This means we can now model materials and molecular dynamics billions of times faster compared to conventional quantum methods, while retaining the same level of accuracy,” said Justin Smith, Los Alamos physicist . . . The new approach with the machine learning empirical potential can be applied to new molecules in milliseconds,"